Neosolaniol
HIT212672625
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HIT ID: HIT212672625
Cas No: 36519-25-2
分子式: C19H26O8
分子量: 382.409
常用名: Neosolaniol
氢键受体数 (HBA): 6
氢键供体数 (HBD): 2
LogP: -0.85381144
IUPAC: [(2'R,4'S,7'R,9'R,10'R,11'S)-11'-(acetyloxy)-4',10'-dihydroxy-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0^{2,7}]dodecan]-5'-en-2'-yl]methyl acetate
IUPAC: [(2'R,4'S,7'R,9'R,10'R,11'S)-11'-(acetyloxy)-4',10'-dihydroxy-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0^{2,7}]dodecan]-5'-en-2'-yl]methyl acetate
SMILES: [H][C@@]12O[C@]3([H])C=C(C)[C@@H](O)C[C@]3(COC(C)=O)C(C)([C@H](OC(C)=O)[C@H]1O)C21CO1 |t:5,TLB:27:26:2.3.11:24.19,28:26:2.3.11:24.19|
SMILES: [H][C@@]12O[C@]3([H])C=C(C)[C@@H](O)C[C@]3(COC(C)=O)C(C)([C@H](OC(C)=O)[C@H]1O)C21CO1 |t:5,TLB:27:26:2.3.11:24.19,28:26:2.3.11:24.19|
InChI key: TVZHDVCTOCZDNE-WZSGEPEASA-N
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